3-amino-4-chloro-N-ethyl-N-propan-2-ylbenzamide

C12H17ClN2O — CID 43265294

IUPAC3-amino-4-chloro-N-ethyl-N-propan-2-ylbenzamide
SMILESCCN(C(=O)c1ccc(Cl)c(N)c1)C(C)C
InChIInChI=1S/C12H17ClN2O/c1-4-15(8(2)3)12(16)9-5-6-10(13)11(14)7-9/h5-8H,4,14H2,1-3H3
InChIKeyDCXOSTRHODTWQJ-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.79
Rot. Bonds3

About 3-amino-4-chloro-N-ethyl-N-propan-2-ylbenzamide

3-amino-4-chloro-N-ethyl-N-propan-2-ylbenzamide (PubChem CID 43265294) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 3-amino-4-chloro-N-ethyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-ethyl-N-propan-2-ylbenzamide
PubChem CID43265294
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name3-amino-4-chloro-N-ethyl-N-propan-2-ylbenzamide
SMILESCCN(C(=O)c1ccc(Cl)c(N)c1)C(C)C
InChIInChI=1S/C12H17ClN2O/c1-4-15(8(2)3)12(16)9-5-6-10(13)11(14)7-9/h5-8H,4,14H2,1-3H3
InChIKeyDCXOSTRHODTWQJ-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 60947328
3-amino-4-chloro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79483264
3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide
CID 43266072
3-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 43295327
3-amino-4-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54906116
3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride
CID 119705659
3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55006686
3-amino-4-chloro-N-(1-cyanopropan-2-yl)-N-methylbenzamide
CID 63221612
3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63955717
3-bromo-N-ethyl-4-methyl-N-propan-2-ylbenzamide
CID 79466412
3-amino-4-chloro-N-(2-methylpropyl)benzamide
CID 838194
N-ethyl-3-hydroxy-4-iodo-N-propan-2-ylbenzamide
CID 104627791

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-ethyl-N-propan-2-ylbenzamide?
The IUPAC name of 3-amino-4-chloro-N-ethyl-N-propan-2-ylbenzamide (CID 43265294) is 3-amino-4-chloro-N-ethyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-amino-4-chloro-N-ethyl-N-propan-2-ylbenzamide?
The canonical SMILES for 3-amino-4-chloro-N-ethyl-N-propan-2-ylbenzamide is CCN(C(=O)c1ccc(Cl)c(N)c1)C(C)C.
What is the InChIKey of 3-amino-4-chloro-N-ethyl-N-propan-2-ylbenzamide?
The InChIKey is DCXOSTRHODTWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-4-15(8(2)3)12(16)9-5-6-10(13)11(14)7-9/h5-8H,4,14H2,1-3H3.
What are the key properties of 3-amino-4-chloro-N-ethyl-N-propan-2-ylbenzamide?
3-amino-4-chloro-N-ethyl-N-propan-2-ylbenzamide has a molecular weight of 240.73 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-ethyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 43265294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).